# generated using pymatgen
data_LiBeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15836315
_cell_length_b   6.02929539
_cell_length_c   13.18504790
_cell_angle_alpha   82.38848833
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeH3
_chemical_formula_sum   'Li12 Be12 H36'
_cell_volume   485.25500042
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.11833214  0.23868061  0.40591802  1
  Li  Li1  1  0.61971757  0.01195529  0.74750187  1
  Li  Li2  1  0.88028243  0.01195529  0.24750187  1
  Li  Li3  1  0.12806513  0.74749729  0.10181966  1
  Li  Li4  1  0.87193487  0.25250271  0.89818034  1
  Li  Li5  1  0.11971757  0.98804471  0.75249813  1
  Li  Li6  1  0.38028243  0.98804471  0.25249813  1
  Li  Li7  1  0.37193487  0.74749729  0.60181966  1
  Li  Li8  1  0.88166786  0.76131939  0.59408198  1
  Li  Li9  1  0.62806513  0.25250271  0.39818034  1
  Li  Li10  1  0.38166786  0.23868061  0.90591802  1
  Li  Li11  1  0.61833214  0.76131939  0.09408198  1
  Be  Be12  1  0.40712883  0.22966314  0.58720713  1
  Be  Be13  1  0.16538953  0.77595978  0.40873468  1
  Be  Be14  1  0.83461047  0.22404022  0.59126532  1
  Be  Be15  1  0.90712883  0.77033686  0.91279287  1
  Be  Be16  1  0.33461047  0.77595978  0.90873468  1
  Be  Be17  1  0.59287117  0.77033686  0.41279287  1
  Be  Be18  1  0.66538953  0.22404022  0.09126532  1
  Be  Be19  1  0.61736593  0.56331229  0.81355566  1
  Be  Be20  1  0.88263407  0.56331229  0.31355566  1
  Be  Be21  1  0.09287117  0.22966314  0.08720713  1
  Be  Be22  1  0.38263407  0.43668771  0.18644434  1
  Be  Be23  1  0.11736593  0.43668771  0.68644434  1
  H  H24  1  0.11715750  0.29235041  0.78070613  1
  H  H25  1  0.87956865  0.29037057  0.11568245  1
  H  H26  1  0.30402340  0.42295986  0.62001325  1
  H  H27  1  0.35596759  0.02843790  0.65132612  1
  H  H28  1  0.38075475  0.67086567  0.19399241  1
  H  H29  1  0.62000046  0.02680884  0.15866982  1
  H  H30  1  0.64403241  0.97156210  0.34867388  1
  H  H31  1  0.36876123  0.80280496  0.01066202  1
  H  H32  1  0.61924525  0.32913433  0.80600759  1
  H  H33  1  0.37999954  0.97319116  0.84133018  1
  H  H34  1  0.37695704  0.22532415  0.48165265  1
  H  H35  1  0.69597660  0.57704014  0.37998675  1
  H  H36  1  0.87695704  0.77467585  0.01834735  1
  H  H37  1  0.80402340  0.57704014  0.87998675  1
  H  H38  1  0.62043135  0.29037057  0.61568245  1
  H  H39  1  0.56357654  0.42396804  0.11768869  1
  H  H40  1  0.61715750  0.70764959  0.71929387  1
  H  H41  1  0.43642346  0.57603196  0.88231131  1
  H  H42  1  0.14403241  0.02843790  0.15132612  1
  H  H43  1  0.86876123  0.19719504  0.48933798  1
  H  H44  1  0.37956865  0.70962943  0.38431755  1
  H  H45  1  0.12304296  0.22532415  0.98165265  1
  H  H46  1  0.11924525  0.67086567  0.69399241  1
  H  H47  1  0.88284250  0.70764959  0.21929387  1
  H  H48  1  0.93642346  0.42396804  0.61768869  1
  H  H49  1  0.12000046  0.97319116  0.34133018  1
  H  H50  1  0.88075475  0.32913433  0.30600759  1
  H  H51  1  0.13123877  0.80280496  0.51066202  1
  H  H52  1  0.85596759  0.97156210  0.84867388  1
  H  H53  1  0.38284250  0.29235041  0.28070613  1
  H  H54  1  0.19597660  0.42295986  0.12001325  1
  H  H55  1  0.12043135  0.70962943  0.88431755  1
  H  H56  1  0.63123877  0.19719504  0.98933798  1
  H  H57  1  0.06357654  0.57603196  0.38231131  1
  H  H58  1  0.62304296  0.77467585  0.51834735  1
  H  H59  1  0.87999954  0.02680884  0.65866982  1
